C34H39N3O8 Cytidine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methox yethyl) -5-methyl- (9CI, ACI)

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C34H39N3O8 Cytidine, 5'-O-[bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methox yethyl) -5-methyl- (9CI, ACI)

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Cikakken Bayani

Tags samfurin

Kaddarorin jiki

Mabuɗin Abubuwan Jiki Daraja Sharadi
Nauyin Kwayoyin Halitta 617.69 -
Wurin tafasa (An annabta) 762.6±70.0 °C Latsa: 760 Torr
Girma (An annabta) 1.27± 0.1 g/cm3 Zazzabi: 20 ° C;Latsa: 760 Torr
pKa (An annabta) 13.31± 0.70 Mafi yawan zafin jiki: 25 ° C

Sauran Sunaye da Masu Ganewa

Canonical SMILES O=C1N=C(N)C(=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5) C (O)C2OCCOC)C
Isomeric SMILES C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(N)C(C)=C2 (C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChi
InChi=1S/C34H39N3O8/c1-22-20-37(33(39)36-31(22)35)32-30(43-19-18-40-2)29(38)28(45-32) 21-44-34 (23-8-6-5-7-9-23,24-10-14-26(4 1-3)15-11-24)25-12-16-27(42-4) )17-13-25/h5-17,20,28-30,32,38H,18-19,21H2,1-4H3,(H2,35,36,39)/t28-,29-,30-, 32-/m1/s1
InChi Key
LYKTVJJXZQTNPK-PBAMLIMUSA-N
24 Wasu Sunaye na wannan Abu
5'-O-[Bis (4-methoxyphenyl) phenylmethyl] -2'-O- (2-methoxyethyl) -5-methylcytidine (ACI);11: PN: US20030170636 SHAFI: 17 da'awar RNA;12: PN: US20030211606 SHAFI: 18 da'awar R NA;12: PN: US20030212017 SHAFI: 19 da'awar R NA;14: PN: US20040005569 PAG E: 21 da'awar R NA;15: PN: US20040005565 SHAFI: 17- 22 da'awar RNA;15: PN: US20040005570 SHAFI: 19 da'awar R NA;15: PN: U S20040006030 SHAFI: 22 da'awar R NA;15: PN: US20040014048 SHAFI: 19 da'awar R NA;16: PN: US20030171313 SHAFI: 9 da'awar RNA;16: PN: US20030198965 SHAFI: 19 da'awar R NA;16: PN: US20040014047 SHAFI: 19 da'awar R NA;16: PN: US20040014049 SHAFI:

19 da'awar RNA;17: PN: US20040014051 SHAFI: 21 da'awar R NA;17: PN: US20040014699 SHAFI: 19 da'awar R NA;17: PN: W
O03106645 SHAFI: 69 da'awar R NA;18: PN: US20040006029 SHAFI: 22 da'awar R NA;2'-O-Methoxyethyl-5'-O-dimethoxytrityl-5- methylcytidine;58: PN: US20030166592 SHAFI: 15 da'awar R NA;5: PN: WO2005006958 SHAFI: 61 da'awar R NA;7: PN: WO20050 07825 SHAFI: 61 da'awar R NA;82: PN: US20040171566 SHAFI: 18 da'awar R NA;89: PN: US20040005707 SHAFI: 19 da'awar R NA;9: PN: WO03084478 SHAFI: 56 da'awar R NA

Abubuwan Hasashen

Properties akwai
Halittu
Chemical
Yawan yawa
Lipinski
Tsarin Yanayi
Thermal

Halittu

Dukiya Daraja Sharadi Source
Factor na Bioconcentration 1.56 pH da 1;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 1.99 pH da 2;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 6.19 pH da 3;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 38.0 pH da 4;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 116 pH da 5;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 146 pH da 6;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 150 pH da 7;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 151 pH da 8;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 151 pH da 9;Zazzabi: 25 ° C (1) ACD
Factor na Bioconcentration 151 pH 10;Zazzabi: 25 ° C (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Chemical

Dukiya Daraja Sharadi Source
Koc 13.0 pH da 1;Zazzabi: 25 ° C (1) ACD
Koc 16.6 pH da 2;Zazzabi: 25 ° C (1) ACD
Koc 51.8 pH da 3;Zazzabi: 25 ° C (1) ACD
Koc 318 pH da 4;Zazzabi: 25 ° C (1) ACD
Koc 966 pH da 5;Zazzabi: 25 ° C (1) ACD
Koc 1220 pH da 6;Zazzabi: 25 ° C (1) ACD
Koc 1260 pH da 7;Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Koc 1260 pH da 8;Zazzabi: 25 ° C (1) ACD
Koc 1260 pH da 9;Zazzabi: 25 ° C (1) ACD
Koc 1260 pH 10;Zazzabi: 25 ° C (1) ACD
logD 1.18 pH da 1;Zazzabi: 25 ° C (1) ACD
logD 1.29 pH da 2;Zazzabi: 25 ° C (1) ACD
logD 1.78 pH da 3;Zazzabi: 25 ° C (1) ACD
logD 2.57 pH da 4;Zazzabi: 25 ° C (1) ACD
logD 3.05 pH da 5;Zazzabi: 25 ° C (1) ACD
logD 3.16 pH da 6;Zazzabi: 25 ° C (1) ACD
logD 3.17 pH da 7;Zazzabi: 25 ° C (1) ACD
logD 3.17 pH da 8;Zazzabi: 25 ° C (1) ACD
logD 3.17 pH da 9;Zazzabi: 25 ° C (1) ACD
logD 3.17 pH 10;Zazzabi: 25 ° C (1) ACD
logP 3.169± 0.598 Zazzabi: 25 ° C (1) ACD
Mass Intrinsic Solubility 5.2 x 10-3 g/L Zazzabi: 25 ° C (1) ACD
Mass Solubility 0.51 g/L pH da 1;Zazzabi: 25 ° C (1) ACD
Mass Solubility 0.40 g/L pH da 2;Zazzabi: 25 ° C (1) ACD
Mass Solubility 0.13 g/L pH da 3;Zazzabi: 25 ° C (1) ACD
Mass Solubility 0.020 g/L pH da 4;Zazzabi: 25 ° C (1) ACD
Mass Solubility 6.8 x 10-3 g/L pH da 5;Zazzabi: 25 ° C (1) ACD
Mass Solubility 5.4 x 10-3 g/L pH da 6;Zazzabi: 25 ° C (1) ACD
Mass Solubility 5.3 x 10-3 g/L pH da 7;Zazzabi: 25 ° C (1) ACD
Mass Solubility 5.2 x 10-3 g/L pH da 8;Zazzabi: 25 ° C (1) ACD
Mass Solubility 5.2 x 10-3 g/L pH da 9;Zazzabi: 25 ° C (1) ACD
Mass Solubility 5.2 x 10-3 g/L pH 10;Zazzabi: 25 ° C (1) ACD
Mass Solubility 5.3 x 10-3 g/L Ruwan da ba a buƙata ba pH 7.05;Zazzabi: 25 ° C (1) ACD
Solubility na Ciki na Molar 8.4 x 10-6 mol/L Zazzabi: 25 ° C (1) ACD
Solubility na Molar 8.2 x 10-4 mol/L pH da 1;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 6.4 x 10-4 mol/L pH da 2;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 2.1 x 10-4 mol/L pH da 3;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 3.3 x 10-5 mol/L pH da 4;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 1.1 x 10-5 mol/L pH da 5;Zazzabi: 25 ° C (1) ACD

 

Dukiya Daraja Sharadi Source
Solubility na Molar 8.7 x 10-6 mol/L pH da 6;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 8.5 x 10-6 mol/L pH da 7;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 8.4 x 10-6 mol/L pH da 8;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 8.4 x 10-6 mol/L pH da 9;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 8.4 x 10-6 mol/L pH 10;Zazzabi: 25 ° C (1) ACD
Solubility na Molar 8.5 x 10-6 mol/L Ruwan da ba a buƙata ba pH 7.05;Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 617.69    
pKa 13.31± 0.70 Mafi yawan zafin jiki: 25 ° C (1) ACD
pKa 4.58± 0.10 Mafi Asalin Zazzabi: 25 ° C (1) ACD
Ruwan Ruwa 1.89 x 10-24 Torr Zazzabi: 25 ° C (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Yawan yawa

Dukiya Daraja Sharadi Source
Yawan yawa 1.27± 0.1 g/cm3 Zazzabi: 20 ° C;Latsa: 760 Torr (1) ACD
Ƙarar Molar 483.8± 7.0 cm3/mol Zazzabi: 20 ° C;Latsa: 760 Torr (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Lipinski

Dukiya Daraja Sharadi Source
Ƙimar Rarraba Kyauta 14   (1) ACD
H Masu karɓa 11   (1) ACD
H Masu Ba da taimako 3   (1) ACD
H Donor/Acceptor Sum 14   (1) ACD
logP 3.169± 0.598 Zazzabi: 25 ° C (1) ACD
Nauyin Kwayoyin Halitta 617.69    

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Tsarin Yanayi

Dukiya Daraja

Sharadi

Source
Wuri Mai Girma 134 A2 (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Thermal

Dukiya Daraja Sharadi Source
Wurin Tafasa 762.6±70.0 °C Latsa: 760 Torr (1) ACD
Enthalpy na Vaporization 116.53± 3.0 kJ/mol Latsa: 760 Torr (1) ACD
Wurin Flash 415.0± 35.7 °C   (1) ACD

(1) An ƙididdige ta ta amfani da Ci gaban Chemistry na Babba (ACD/Labs) Software V11.02 (© 1994-2023 ACD/Labs)

Spectra da aka annabta

Spectra akwai
1H NMR
13C NMR


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